Structure Database (LMSD)

Common Name
21-Methylhentriacontan-7-one
Systematic Name
21-Methylhentriacontan-7-one
Synonyms
LM ID
LMFA12000236
Formula
C32H64O
Exact Mass
Calculate m/z
464.495715
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
YNYSRWCPCRALCK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H64O/c1-4-6-8-10-11-17-20-23-27-31(3)28-24-21-18-15-13-12-14-16-19-22-26-30-32(33)29-25-9-7-5-2/h31H,4-30H2,1-3H3
SMILES (Click to copy)
CCCCCCC(=O)CCCCCCCCCCCCCC(C)CCCCCCCCCC

References

Other Databases

PubChem CID
56936235

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 568.31
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 11.76
Molar Refractivity 150.18

Admin

Created at
-
Updated at
-